Geometry & MOs

Info

ID:	165902
PubChem CID:	74610984
Reduced:	FO2S2N3C20H22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	6.64
IP(EA), eV:	-8.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)CC2CC(=O)NC(N2)SCC3=CC=CC=C3F

DOS

IR

Vibrations